Dexmedetomidine Impurity 1

CAT: 1299-RM-D240901-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D240901-01Size:10 mg

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CAS Number

2240179-62-6

Synonyms

4- (1- (3,4-dimethylphenyl) ethyl) -1H-imidazole

Molecular Formula

C13H16N2

Molecular Weight

200.29

Target Alternative Name

Dexmedetomidine

Product Name Synonym

4- (1- (3,4-dimethylphenyl) ethyl) -1H-imidazole

Chemical Information

5-[1-(3,4-dimethylphenyl)ethyl]-1H-imidazole

CAS Number	2240179-62-6
PubChem CID	69571842
IUPAC Name	5-[1-(3,4-dimethylphenyl)ethyl]-1H-imidazole
Molecular Formula	C13H16N2
Molecular Weight	200.28
XLogP	3.1
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	205

SMILES

CC1=C(C=C(C=C1)C(C)C2=CN=CN2)C

InChI

InChI=1S/C13H16N2/c1-9-4-5-12(6-10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)

InChIKey

ZSTJCNFENYWUEV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2240179-62-6

CID: 69571842

Formula: C13H16N2

MW: 200.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.28
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	200.131348519
Monoisotopic Mass	200.131348519
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M04048-01	Dexmedetomidine Impurity 5
AR-M04020-01	Dexmedetomidine Impurity 6
317594	Dexmedetomidine
TRC-C299000-100MG	Chloro-Dexmedetomidine
MBS130448-01	Dexmedetomidine hydrochloride
B1357-50	Dexmedetomidine HCl